4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide

C14H19N5O2 — CID 71853665

IUPAC4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
SMILESCCCC(NC(=O)c1ccc(OC)cc1C)c1nn[nH]n1
InChIInChI=1S/C14H19N5O2/c1-4-5-12(13-16-18-19-17-13)15-14(20)11-7-6-10(21-3)8-9(11)2/h6-8,12H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyZGUTZNIDIQEFRO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.79
Rot. Bonds6

About 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide

4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide (PubChem CID 71853665) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
PubChem CID71853665
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
SMILESCCCC(NC(=O)c1ccc(OC)cc1C)c1nn[nH]n1
InChIInChI=1S/C14H19N5O2/c1-4-5-12(13-16-18-19-17-13)15-14(20)11-7-6-10(21-3)8-9(11)2/h6-8,12H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyZGUTZNIDIQEFRO-UHFFFAOYSA-N
XLogP1.79
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 102562004
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
CID 97184162
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
CID 53199853
N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide
CID 99775615
[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 135238899
2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide
CID 166237134
1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
CID 65313550
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide (CID 71853665) is 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide is CCCC(NC(=O)c1ccc(OC)cc1C)c1nn[nH]n1.
What is the InChIKey of 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The InChIKey is ZGUTZNIDIQEFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-5-12(13-16-18-19-17-13)15-14(20)11-7-6-10(21-3)8-9(11)2/h6-8,12H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide is sourced from PubChem (CID 71853665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).